0 mol 1 unq 0 iso 0 dist 9.44115 5.21705 5.96833 11.3766 5.11735 6.86701 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.90928 5.06184 5.96833 6.4181 5.11735 6.86701 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 9.99243 9.81658 12.8762 11.4878 5.8245 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.95341 12.0088 9.81658 13.0231 11.4878 5.8245 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.97117 12.2008 9.96121 14.8022 6.10146 9.12845 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.84323 5.46563 9.1062 14.3699 11.7069 9.69044 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 8.84323 5.46563 9.1062 8.1599 5.49555 6.9103 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.70192 3.77705 8.96498 9.46247 10.331 8.3733 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 7.65646 7.64337 8.96498 14.1308 10.331 8.3733 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.6411 6.69911 9.40363 9.71952 7.18506 8.13108 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.94956 3.94216 9.40363 7.28257 7.18506 8.13108 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.15288 7.72904 5.47706 11.7809 4.92509 6.85523 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 9.15288 7.72904 5.47706 13.9595 5.22036 8.65848 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 9.15288 13.6432 8.89842 13.9595 5.22036 7.25801 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.15288 9.64221 8.07568 11.7809 4.92509 5.77326 numMergedOcc 0
15 mol 78 unq 4 iso 0 dist 9.4909 11.0011 5.47706 14.3902 4.92509 6.85523 numMergedOcc 0
16 mol 78 unq 5 iso 0 dist 9.4909 11.0011 5.47706 11.0261 5.22036 8.65848 numMergedOcc 0
17 mol 78 unq 6 iso 0 dist 9.4909 10.0477 8.89842 11.0261 5.22036 7.25801 numMergedOcc 0
18 mol 78 unq 7 iso 0 dist 9.4909 16.0481 8.07568 14.3902 4.92509 5.77326 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 5.58063 8.29196 7.65255 12.5192 10.2377 6.24825 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 9.58171 5.61881 9.94053 6.90827 4.91401 8.84018 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.95838 11.2265 9.08536 19.6702 16.7975 8.95212 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 8.95838 11.2265 9.08536 13.2232 7.36192 6.99446 numMergedOcc 0
23 mol 119 unq 2 iso 0 dist 8.95838 11.2265 9.08536 13.3689 10.6679 7.64052 numMergedOcc 0
24 mol 119 unq 3 iso 0 dist 9.47892 15.453 9.08536 22.8005 16.7975 8.95212 numMergedOcc 0
25 mol 119 unq 4 iso 0 dist 9.47892 15.453 9.08536 15.3808 7.36192 6.99446 numMergedOcc 0
26 mol 119 unq 5 iso 0 dist 9.47892 15.453 9.08536 19.5006 10.6679 7.64052 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 9.43335 5.36037 7.05845 11.9443 6.01455 7.36975 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 9.9492 15.3503 7.05845 13.375 6.01455 7.36975 numMergedOcc 0
29 mol 155 unq 0 iso 0 dist 7.50392 5.68679 7.29911 11.1867 12.8482 8.97626 numMergedOcc 0
30 mol 155 unq 1 iso 0 dist 8.02593 5.05961 5.36254 12.6683 8.27726 8.97626 numMergedOcc 0
31 mol 155 unq 2 iso 0 dist 8.77391 5.68679 5.36254 11.1867 8.27726 8.97626 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 6.17129 7.19461 9.09234 9.84952 6.7991 6.64173 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 6.17129 9.77747 6.76746 9.84952 6.7991 9.01624 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 6.17129 9.77747 6.76746 13.0935 8.35755 5.05973 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 6.17129 10.0615 8.92098 9.84952 6.7991 9.55105 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 5.83596 11.195 9.09234 10.8641 6.7991 6.64173 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 5.83596 4.76079 6.76746 10.8641 6.7991 9.01624 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 5.83596 4.76079 6.76746 7.41378 8.35755 5.05973 numMergedOcc 0
39 mol 181 unq 7 iso 0 dist 5.83596 6.38851 8.92098 10.8641 6.7991 9.55105 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 8.32685 15.7632 9.27218 13.2177 5.2908 9.10817 numMergedOcc 0
41 mol 197 unq 1 iso 0 dist 8.32685 15.7632 9.27218 14.164 6.23998 6.86828 numMergedOcc 0
42 mol 197 unq 2 iso 0 dist 6.74777 15.6628 9.27218 10.9337 5.2908 9.10817 numMergedOcc 0
43 mol 197 unq 3 iso 0 dist 6.74777 15.6628 9.27218 11.7581 6.23998 6.86828 numMergedOcc 0
44 mol 197 unq 4 iso 0 dist 9.62514 18.7224 9.27218 12.045 5.2908 9.10817 numMergedOcc 0
45 mol 197 unq 5 iso 0 dist 9.62514 18.7224 9.27218 13.6474 6.23998 6.86828 numMergedOcc 0
46 mol 233 unq 0 iso 0 dist 7.83363 10.7478 6.01775 14.1896 8.96098 8.51625 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 9.53092 9.92544 8.84648 12.9189 5.31048 8.03219 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 9.53092 12.9171 6.23661 11.6963 5.79468 5.85442 numMergedOcc 0
49 mol 259 unq 2 iso 0 dist 9.53092 12.9171 6.23661 12.9189 5.31048 6.9899 numMergedOcc 0
